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BDBM50130520 CHEMBL3634328

SMILES: OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)N1C(=O)Cc2ccccc12

InChI Key: InChIKey=VFJLUSQFBJYEIR-UHFFFAOYNA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50130520   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Voltage-gated sodium channel subunit alpha Nav1.1 (Nav1.1)


(Homo sapiens (Human))
BDBM50130520
PNG
(CHEMBL3634328)
Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)N1C(=O)Cc2ccccc12
Show InChI InChI=1/C29H30N2O4/c32-24(20-35-27-13-7-5-11-25(27)29(34)21-8-2-1-3-9-21)19-30-16-14-23(15-17-30)31-26-12-6-4-10-22(26)18-28(31)33/h1-13,23-24,32H,14-20H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 2.60E+4n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.1 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50130520
PNG
(CHEMBL3634328)
Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)N1C(=O)Cc2ccccc12
Show InChI InChI=1/C29H30N2O4/c32-24(20-35-27-13-7-5-11-25(27)29(34)21-8-2-1-3-9-21)19-30-16-14-23(15-17-30)31-26-12-6-4-10-22(26)18-28(31)33/h1-13,23-24,32H,14-20H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 9.40E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50130520
PNG
(CHEMBL3634328)
Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)N1C(=O)Cc2ccccc12
Show InChI InChI=1/C29H30N2O4/c32-24(20-35-27-13-7-5-11-25(27)29(34)21-8-2-1-3-9-21)19-30-16-14-23(15-17-30)31-26-12-6-4-10-22(26)18-28(31)33/h1-13,23-24,32H,14-20H2
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mouse NaV1.7 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)

More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50130520
PNG
(CHEMBL3634328)
Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)N1C(=O)Cc2ccccc12
Show InChI InChI=1/C29H30N2O4/c32-24(20-35-27-13-7-5-11-25(27)29(34)21-8-2-1-3-9-21)19-30-16-14-23(15-17-30)31-26-12-6-4-10-22(26)18-28(31)33/h1-13,23-24,32H,14-20H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 3.30E+4n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)

More data for this
Ligand-Target Pair